(αR)-4-Fluoro-α-[(3S)-4-methyl-3-[[(5-methyl-3-isoxazolyl)carbonyl]amino]-2-oxopentyl]-benzenepropanoic Acid - CAS 328086-55-1
Catalog: |
BB056110 |
Product Name: |
(αR)-4-Fluoro-α-[(3S)-4-methyl-3-[[(5-methyl-3-isoxazolyl)carbonyl]amino]-2-oxopentyl]-benzenepropanoic Acid |
CAS: |
328086-55-1 |
Synonyms: |
(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxoheptanoic acid; (alphaR)-4-Fluoro-alpha-[(3S)-4-methyl-3-[[(5-methyl-3-isoxazolyl)carbonyl]amino]-2-oxopentyl]-benzenepropan; (2R,5S)-2-(4-Fluorobenzyl)-6-methyl-5-(5-methylisoxazole-3-carboxamido)-4-oxoheptanoic acid; (2R,5S)-2-(4-Fluorobenzyl)-4-oxo-5-[[(5-methylisoxazole-3-yl)carbonyl]amino]-6-methylheptanoic acid; (alphaR)-4-Fluoro-alpha-[(3S)-4-methyl-3-[[(5-methyl-3-isoxazolyl)carbonyl]amino]-2-oxopentyl]-benzenepropanoic acid |
IUPAC Name: | (2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxoheptanoic acid |
Description: | Intermediate in the preparation of rhinovirus protease inhibitors. |
Molecular Weight: | 390.41 |
Molecular Formula: | C20H23FN2O5 |
Canonical SMILES: | CC1=CC(=NO1)C(=O)NC(C(C)C)C(=O)CC(CC2=CC=C(C=C2)F)C(=O)O |
InChI: | InChI=1S/C20H23FN2O5/c1-11(2)18(22-19(25)16-8-12(3)28-23-16)17(24)10-14(20(26)27)9-13-4-6-15(21)7-5-13/h4-8,11,14,18H,9-10H2,1-3H3,(H,22,25)(H,26,27)/t14-,18+/m1/s1 |
InChI Key: | JFQOJCVRJLLFGZ-KDOFPFPSSA-N |
Solubility: | Dichloromethane, Ethyl Acetate, Methanol |
Appearance: | Yellow Solid |
Complexity: | 563 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 390.1591 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 390.1591 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 110Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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